ChemSpider 2D Image | 2-Methyl-2-propanyl [1-(6-{acetyl[2-(1-piperazinyl)phenyl]amino}-2-benzyl-4-pyrimidinyl)-4-piperidinyl]carbamate | C33H43N7O3

2-Methyl-2-propanyl [1-(6-{acetyl[2-(1-piperazinyl)phenyl]amino}-2-benzyl-4-pyrimidinyl)-4-piperidinyl]carbamate

  • Molecular FormulaC33H43N7O3
  • Average mass585.740 Da
  • Monoisotopic mass585.342712 Da
  • ChemSpider ID121826490

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[1-(6-{Acétyl[2-(1-pipérazinyl)phényl]amino}-2-benzyl-4-pyrimidinyl)-4-pipéridinyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [1-(6-{acetyl[2-(1-piperazinyl)phenyl]amino}-2-benzyl-4-pyrimidinyl)-4-piperidinyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[1-(6-{acetyl[2-(1-piperazinyl)phenyl]amino}-2-benzyl-4-pyrimidinyl)-4-piperidinyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[1-[6-[acetyl[2-(1-piperazinyl)phenyl]amino]-2-(phenylmethyl)-4-pyrimidinyl]-4-piperidinyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 826.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.1±3.0 kJ/mol
Flash Point: 453.5±34.3 °C
Index of Refraction: 1.637
Molar Refractivity: 167.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 23.15
ACD/KOC (pH 7.4): 121.85
Polar Surface Area: 103 Å2
Polarizability: 66.3±0.5 10-24cm3
Surface Tension: 64.2±5.0 dyne/cm
Molar Volume: 466.2±5.0 cm3

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